SCHEMBL21100046

SCHEMBL21100046

CC(C)C(=O)CN(C)CC(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.33
CA2 P00918 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25475800 0.90 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL10212356 0.90 BHMT (0.37) TDP1CYP2C19
SCHEMBL19222595 0.89 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL25551254 0.86 CYP2C19 (0.36) ALDH1A1TDP1CYP2C19CA2
SCHEMBL26003302 0.86 TDP1 (0.38) TDP1
SCHEMBL12977350 0.85 CA1 (0.38) ALDH1A1TDP1CA2
SCHEMBL26003256 0.84
SCHEMBL24941917 0.83 CA12 (0.33) CA2
SCHEMBL888859 0.82
SCHEMBL1697333 0.81

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263900-A1 DENDRIMER-DRUG CONJUGATE STARPHARMA PTY LTD (AU) 2023-08-24 US disclosed
US-20230263900-A1 DENDRIMER-DRUG CONJUGATE STARPHARMA PTY LTD (AU) 2023-08-24 US disclosed
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ALDH1A1 4716/4885TDP1 4818/4885CYP2C19 2775/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 ALDH1A1 4716/4885TDP1 4818/4885CYP2C19 2775/4885
US-20230263900-A1 DENDRIMER-DRUG CONJUGATE SARS1, MMAB, PAM ALDH1A1 2061/4885TDP1 3076/4885CYP2C19 532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.